Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate

Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate

Common Name: Methyl (3β,5ξ,9ξ,14ξ)-3,24-dihydroxyolean-12-en-30-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H50O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24+,26+,27+,28-,29-,30-,31+/m0/s1

InChIKey: InChIKey=OLFMGIZTWHFEJC-PADHZNKLSA-N

Formula: C31H50O4

Molecular Weight: 486.72747

Exact Mass: 486.37091

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Han, J.T., Kim, H.Y., Park, Y.D., Lee, Y.H., Lee, K.R., Kwon, B.M., Baek, N.I. J Nat Prod (2002) 68, 558-61

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 35.87
2 (CH2) 26.25
3 (CH) 76.52
4 (C) 39.93
5 (CH) 45.99
6 (CH2) 18.02
7 (CH2) 32.16
8 (C) 40.29
9 (CH) 47.39
10 (C) 36.76
11 (CH2) 23.47
12 (CH) 122.66
13 (C) 144.15
14 (C) 41.75
15 (CH2) 25.93
16 (CH2) 26.91
17 (C) 32.39
18 (CH) 42.75
19 (CH2) 40.49
20 (C) 42.71
21 (CH2) 29.02
22 (CH2) 32.8
23 (CH2) 71.33
24 (CH3) 17.95
25 (CH3) 16.79
26 (CH3) 15.58
27 (CH3) 26.1
28 (CH3) 28.18
29 (C) 179.37
30 (CH3) 19.32
29a (CH3) 51.73